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Development of in silico methodology for siRNA lipid nanoparticle formulations Journal article
Chemical Engineering Journal, 2022,Volume: 442
Authors:  Gao, Haoshi;  Kan, Stanislav;  Ye, Zhuyifan;  Feng, Yuchen;  Jin, Lei;  Zhang, Xudong;  Deng, Jiayin;  Chan, Ging;  Hu, Yuanjia;  Wang, Yongjun;  Cao, Dongsheng;  Ji, Yuanhui;  Liang, Mingtao;  Li, Haifeng;  Ouyang, Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/05/13
Cationic Lipids  Knockdown Efficiency  Lipid Nanoparticle  Machine Learning  Molecular Dynamic Simulation  Sirna  
Opportunities and challenges of physiologically based pharmacokinetic modeling in drug delivery Journal article
Drug Discovery Today, 2022
Authors:  Wang, Wei;  Ouyang, Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/05/17
Inhalation  Injectable Formulation  Nanomedicine  Oral Formulation  Pbpk Modeling  Transdermal Formulations  
Toward Strong Near-Infrared Absorption/Emission from Carbon Dots in Aqueous Media through Solvothermal Fusion of Large Conjugated Perylene Derivatives with Post-Surface Engineering Journal article
Advanced Science, 2022
Authors:  Liu, Yupeng;  Lei, Josh Haipeng;  Wang, Gang;  Zhang, Zhiming;  Wu, Jun;  Zhang, Bohan;  Zhang, Huiqi;  Liu, Enshan;  Wang, Liming;  Liu, Tzu Ming;  Xing, Guichuan;  Ouyang, Defang;  Deng, Chu Xia;  Tang, Zikang;  Qu, Songnan
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/06/14
Carbon Dots  Near-infrared Absorption  Near-infrared Bioimaging  Near-infrared Emission  Perylene Derivatives  Two-photon Fluorescence  
The role of hydrogen-bond in solubilizing drugs by ionic liquids: A molecular dynamics and density functional theory study Journal article
AIChE Journal, 2022,Volume: 68,Issue: 6
Authors:  Huang, Yiping;  Ouyang, Defang;  Ji, Yuanhui
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/05/17
Aspirin  Dft Calculations  Etomidate  Hydrogen-bond Basicity And Acidity  Ionic Liquids  Molecular Dynamics Simulation  Solvation Mechanism  
FC-BBR/IND-induced glucose oxidase nanodrugs for targeted combination therapy Journal article
International Journal of Pharmaceutics, 2022,Volume: 611
Authors:  Cheng, Yu;  Ji, Yuanhui;  Ouyang, Defang
Favorite |  | TC[WOS]:1 TC[Scopus]:1 | Submit date:2022/02/21
Chemodynamic Therapy  Ferrocene  Glucose Oxidase  Starvation Therapy  Targeted Therapy  
In silico formulation prediction of drug/cyclodextrin/polymer ternary complexes by machine learning and molecular modeling techniques Journal article
Carbohydrate Polymers, 2022,Volume: 275
Authors:  Li, Junjun;  Gao, Hanlu;  Ye, Zhuyifan;  Deng, Jiayin;  Ouyang, Defang
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Machine Learning  Molecular Modeling  Random Forest  Solubility Prediction  Ternary Cyclodextrin Complexes  
Prediction of lipid nanoparticles for mRNA vaccines by the machine learning algorithm Journal article
Acta Pharmaceutica Sinica B, 2022
Authors:  Wang, Wei;  Feng, Shuo;  Ye, Zhuyifan;  Gao, Hanlu;  Lin, Jinzhong;  Ouyang, Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:1 | Submit date:2022/05/17
Formulation prediction  Ionizable lipid  LightGBM  Lipid nanoparticle  Machine learning  Molecular modeling  mRNA  Vaccine  
Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms Journal article
Journal of Cheminformatics, 2021,Volume: 13,Issue: 1
Authors:  Ye, Zhuyifan;  Ouyang, Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/01/14
Deep Learning  Lightgbm  Machine Learning  Organic Solvents  Qspr  Solubility Prediction  
A numerical study of the distribution of chemotherapeutic drug carmustine in brain glioblastoma Journal article
Drug Delivery and Translational Research, 2021
Authors:  Chen, Hongyu;  Hu, Guanghui;  Ouyang, Defang
Favorite |  | TC[WOS]:2 TC[Scopus]:1 | Submit date:2022/05/13
Afepack  Brain Tumor  Convection  Drug Release  Gliadel Wafer  Numerical Model  
Computational pharmaceutics - A new paradigm of drug delivery Journal article
Journal of Controlled Release, 2021,Volume: 338,Page: 119-136
Authors:  Wang, Wei;  Ye, Zhuyifan;  Gao, Hanlu;  Ouyang, Defang
Favorite |  | TC[WOS]:12 TC[Scopus]:15 | Submit date:2021/12/08
Artificial Intelligence  Computational Pharmaceutics  Machine Learning  Mathematical Modeling  Molecular Modeling  Pbpk Modeling  Process Simulation